2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol

C17H13BrFNO — CID 79699250

IUPAC2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10,17,21H,8H2
InChIKeyYSBCFPAGKNOFIV-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.41
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol

2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol (PubChem CID 79699250) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol
PubChem CID79699250
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10,17,21H,8H2
InChIKeyYSBCFPAGKNOFIV-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol (CID 79699250) is 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol is OC(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol?
The InChIKey is YSBCFPAGKNOFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10,17,21H,8H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol?
2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol has a molecular weight of 346.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 79699250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).